2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide

C15H21Cl2N3O3 — CID 108572858

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
SMILESCCN(CC)C(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O3/c1-3-20(4-2)15(22)19-8-7-18-14(21)10-23-13-6-5-11(16)9-12(13)17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGATNVWRWZZHRHT-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.54
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide (PubChem CID 108572858) has the molecular formula C15H21Cl2N3O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
PubChem CID108572858
Molecular FormulaC15H21Cl2N3O3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
SMILESCCN(CC)C(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O3/c1-3-20(4-2)15(22)19-8-7-18-14(21)10-23-13-6-5-11(16)9-12(13)17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGATNVWRWZZHRHT-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113052412
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide (CID 108572858) is 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide is CCN(CC)C(=O)NCCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
The InChIKey is GATNVWRWZZHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O3/c1-3-20(4-2)15(22)19-8-7-18-14(21)10-23-13-6-5-11(16)9-12(13)17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide has a molecular weight of 362.26 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 108572858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).